[CP2K-user] [CP2K:21273] Convergence issue for Ni(111) slab

[Lakshmi Anil]

Dear All,

I have been working on ferromagnetic metals such as Fe and Ni over the past 
few days. Despite numerous attempts with various trial-and-error 
approaches, I have encountered persistent issues with SCF  convergence, and 
I have been unable to identify the cause of the problem in my calculations.

I have reviewed several discussions related to Ni slabs in this group, but 
I am still facing difficulties. I am reaching out in the hope that someone 
might be able to offer insights or suggestions to help resolve this issue.

To assist with troubleshooting, I am attaching both the input and output 
files for my Ni calculations, as well as the structure I am working with. 
Any guidance or suggestions would be greatly appreciated.

Thank you in advance for your time and assistance.

Best regards,

Lakshmi.

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